N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

C26H21F2N5O4S — CID 155483906

IUPACN-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cn4cc(CCS(C)(=O)=O)nc4cc3-c3cc(F)cc(F)c3)co2)ccn1
InChIInChI=1S/C26H21F2N5O4S/c1-15-7-16(3-5-29-15)26-32-23(14-37-26)25(34)31-22-13-33-12-20(4-6-38(2,35)36)30-24(33)11-21(22)17-8-18(27)10-19(28)9-17/h3,5,7-14H,4,6H2,1-2H3,(H,31,34)
InChIKeyFUKPPROECSBQJH-UHFFFAOYSA-N
MW537.55 g/mol
LogP4.48
Rot. Bonds7

About N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 155483906) has the molecular formula C26H21F2N5O4S and a molecular weight of 537.55 g/mol. Its IUPAC name is N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
PubChem CID155483906
Molecular FormulaC26H21F2N5O4S
Molecular Weight537.55 g/mol
Exact Mass537.13
IUPAC NameN-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cn4cc(CCS(C)(=O)=O)nc4cc3-c3cc(F)cc(F)c3)co2)ccn1
InChIInChI=1S/C26H21F2N5O4S/c1-15-7-16(3-5-29-15)26-32-23(14-37-26)25(34)31-22-13-33-12-20(4-6-38(2,35)36)30-24(33)11-21(22)17-8-18(27)10-19(28)9-17/h3,5,7-14H,4,6H2,1-2H3,(H,31,34)
InChIKeyFUKPPROECSBQJH-UHFFFAOYSA-N
XLogP4.48
TPSA119.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.55
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 155483906) is N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCS(C)(=O)=O)nc4cc3-c3cc(F)cc(F)c3)co2)ccn1.
What is the InChIKey of N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The InChIKey is FUKPPROECSBQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N5O4S/c1-15-7-16(3-5-29-15)26-32-23(14-37-26)25(34)31-22-13-33-12-20(4-6-38(2,35)36)30-24(33)11-21(22)17-8-18(27)10-19(28)9-17/h3,5,7-14H,4,6H2,1-2H3,(H,31,34).
What are the key properties of N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 537.55 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 155483906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).